3209-0148 Screening compound: methyl 2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

3209-0148 Screening compound: methyl 2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
3209-0148 Screening compound: methyl 2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0148
methyl 2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3209-0148

Molecular Formula

C23H18ClF3N4O3S2 (C23 H18 ClF3 N4 O3 S2)

Compound Name

methyl 2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

COC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Cl)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C23H18ClF3N4O3S2/c1-34-22(33)16-11-6-3-2-4-7-13(11)36-21(16)29-20(32)18-17(24)19-28-12(14-8-5-9-35-14)10-15(23(25,26)27)31(19)30-18/h5,8-10H,2-4,6-7H2,1H3,(H,29,32)

InChI Key

WXOSRJVKJAAXCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01449466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.461

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-6.52

Polar Surface Area

65.044

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

3209-0148 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3209-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0148?
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What is the minimum amount of 3209-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0148
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3209-0148 available by request